REMARK Name = BDB017870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.596 -1.295 0.557 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.482 -2.129 0.376 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.218 -1.563 0.434 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -0.075 -2.240 0.355 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.047 -1.283 0.561 0.00 0.00 -0.257 N ATOM 6 C LIG 1 -0.502 0.079 0.638 0.00 0.00 +0.192 C ATOM 7 O LIG 1 -0.211 -3.434 0.170 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.992 -0.207 0.647 0.00 0.00 +0.019 A ATOM 9 C LIG 1 2.078 0.632 0.852 0.00 0.00 +0.009 A ATOM 10 C LIG 1 3.368 0.086 0.796 0.00 0.00 +0.007 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.020 0.786 1.901 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -2.036 1.759 1.828 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -2.525 2.383 2.980 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.017 2.033 4.226 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -2.618 2.799 5.643 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -1.031 1.057 4.332 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.542 0.433 3.179 0.00 0.00 +0.010 A ENDBRANCH 6 11 BRANCH 1 19 ATOM 18 C LIG 1 5.697 -1.374 -0.816 0.00 0.00 +0.046 C ATOM 19 C LIG 1 5.032 -1.815 0.492 0.00 0.00 +0.085 C ATOM 20 C LIG 1 5.178 -3.334 0.651 0.00 0.00 +0.046 C BRANCH 19 21 ATOM 21 O LIG 1 5.772 -1.228 1.571 0.00 0.00 -0.385 OA ATOM 22 H LIG 1 5.255 -1.374 2.381 0.00 0.00 +0.211 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 6 23 ATOM 23 O LIG 1 -0.922 0.716 -0.568 0.00 0.00 -0.345 OA BRANCH 23 24 ATOM 24 C LIG 1 -0.206 1.873 -0.989 0.00 0.00 +0.198 C BRANCH 24 25 ATOM 25 C LIG 1 -1.027 2.549 -2.054 0.00 0.00 +0.090 C ATOM 26 C LIG 1 -1.937 3.698 -1.716 0.00 0.00 +0.040 C ATOM 27 C LIG 1 -0.684 3.938 -2.513 0.00 0.00 +0.040 C BRANCH 25 28 ATOM 28 O LIG 1 -1.511 1.665 -3.079 0.00 0.00 -0.386 OA ATOM 29 H LIG 1 -1.808 0.825 -2.675 0.00 0.00 +0.210 HD ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 BRANCH 5 30 ATOM 30 C LIG 1 -2.466 -1.588 0.506 0.00 0.00 +0.146 C BRANCH 30 31 ATOM 31 C LIG 1 -3.100 -1.318 -0.839 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -2.736 -2.075 -1.964 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -3.324 -1.828 -3.207 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -4.282 -0.825 -3.332 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 -5.008 -0.521 -4.862 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 -4.655 -0.065 -2.226 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -4.067 -0.312 -0.983 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9